Geometry & MOs

Info

ID:

222928

PubChem CID:

85333193

Reduced:

O3N4F7H25C31 (1)

Stoich.:

A3B4C7D25E31 (1)

Weight, g/mol:

634.188606

ΔHf, kcal/mol:

-392.12

Dipole, Da:

4.94

IP(EA), eV:

 -9.27(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-2-[4-(2-phenylethynyl)phenyl]-1,3-thiazolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(C3=C(C(=O)N2C1)N=C(C=C3)C(=O)N(C)C)C4=CC=C(C=C4)F)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations